FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014059083> ?p ?o ?g. }

• W2014059083 endingPage "804" @default.
• W2014059083 startingPage "795" @default.
• W2014059083 abstract "The study was aimed at investigating how the method of splitting data into a training set and a test set influences the external predictivity of quantitative structure–activity and/or structure–property relationships (QSAR/QSPR) models. Six models of good quality were collected from the literature and then redeveloped and validated on the basis of five alternative splitting algorithms, namely: (i) a commonly used algorithm (‘Z:1’), in which every zth (e.g. third) from the compounds sorted ascending (according to the response values, y) is selected into the test set; (ii–iv) three variations of the Kennard–Stone algorithm and (v) the duplex algorithm. The external validation statistics reported for each model served as a basis for the final comparison. We demonstrated that the splitting techniques utilizing the values of molecular descriptors alone (X) or in combination with the model response (y) always lead to the development of the models yielding better external predictivity in comparison with the models designed with methodologies based on the y values only. Moreover, we showed that the external validation coefficient (Q EXT 2) is more sensitive to the splitting technique than the root-mean-square error of prediction (RMSEP). This difference becomes especially important when the test set is relatively small (between 5 and 10 compounds). In the case of the models trained/validated with a small number of compounds, it is strongly recommended that both statistics (Q EXT 2 and RMSEP) be taken into account for the external predictivity evaluation." @default.
• W2014059083 created "2016-06-24" @default.
• W2014059083 creator A5014449436 @default.
• W2014059083 creator A5025584038 @default.
• W2014059083 creator A5029689432 @default.
• W2014059083 creator A5045359803 @default.
• W2014059083 creator A5056864993 @default.
• W2014059083 date "2011-02-20" @default.
• W2014059083 modified "2023-10-09" @default.
• W2014059083 title "Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models" @default.
• W2014059083 cites W1571439140 @default.
• W2014059083 cites W1594341127 @default.
• W2014059083 cites W1966715677 @default.
• W2014059083 cites W1994681706 @default.
• W2014059083 cites W1996656176 @default.
• W2014059083 cites W1997355076 @default.
• W2014059083 cites W1999985301 @default.
• W2014059083 cites W2002320174 @default.
• W2014059083 cites W2011779808 @default.
• W2014059083 cites W2021991537 @default.
• W2014059083 cites W2023782921 @default.
• W2014059083 cites W2026527760 @default.
• W2014059083 cites W2046344452 @default.
• W2014059083 cites W2050059289 @default.
• W2014059083 cites W2053360452 @default.
• W2014059083 cites W2054716083 @default.
• W2014059083 cites W2058660580 @default.
• W2014059083 cites W2061789405 @default.
• W2014059083 cites W2067585516 @default.
• W2014059083 cites W2074681440 @default.
• W2014059083 cites W2087661061 @default.
• W2014059083 cites W2091310925 @default.
• W2014059083 cites W2091589454 @default.
• W2014059083 cites W2092927559 @default.
• W2014059083 cites W2095138748 @default.
• W2014059083 cites W2104676838 @default.
• W2014059083 cites W2110603811 @default.
• W2014059083 cites W2130995756 @default.
• W2014059083 cites W2134310728 @default.
• W2014059083 cites W2147084679 @default.
• W2014059083 cites W2999197824 @default.
• W2014059083 cites W4229948754 @default.
• W2014059083 doi "https://doi.org/10.1007/s11224-011-9757-4" @default.
• W2014059083 hasPublicationYear "2011" @default.
• W2014059083 type Work @default.
• W2014059083 sameAs 2014059083 @default.
• W2014059083 citedByCount "86" @default.
• W2014059083 countsByYear W20140590832012 @default.
• W2014059083 countsByYear W20140590832013 @default.
• W2014059083 countsByYear W20140590832014 @default.
• W2014059083 countsByYear W20140590832015 @default.
• W2014059083 countsByYear W20140590832016 @default.
• W2014059083 countsByYear W20140590832017 @default.
• W2014059083 countsByYear W20140590832018 @default.
• W2014059083 countsByYear W20140590832019 @default.
• W2014059083 countsByYear W20140590832020 @default.
• W2014059083 countsByYear W20140590832021 @default.
• W2014059083 countsByYear W20140590832022 @default.
• W2014059083 countsByYear W20140590832023 @default.
• W2014059083 crossrefType "journal-article" @default.
• W2014059083 hasAuthorship W2014059083A5014449436 @default.
• W2014059083 hasAuthorship W2014059083A5025584038 @default.
• W2014059083 hasAuthorship W2014059083A5029689432 @default.
• W2014059083 hasAuthorship W2014059083A5045359803 @default.
• W2014059083 hasAuthorship W2014059083A5056864993 @default.
• W2014059083 hasBestOaLocation W20140590831 @default.
• W2014059083 hasConcept C105795698 @default.
• W2014059083 hasConcept C11413529 @default.
• W2014059083 hasConcept C12426560 @default.
• W2014059083 hasConcept C139945424 @default.
• W2014059083 hasConcept C164126121 @default.
• W2014059083 hasConcept C164923092 @default.
• W2014059083 hasConcept C169903167 @default.
• W2014059083 hasConcept C177264268 @default.
• W2014059083 hasConcept C185592680 @default.
• W2014059083 hasConcept C186060115 @default.
• W2014059083 hasConcept C199360897 @default.
• W2014059083 hasConcept C2524010 @default.
• W2014059083 hasConcept C33923547 @default.
• W2014059083 hasConcept C41008148 @default.
• W2014059083 hasConcept C71240020 @default.
• W2014059083 hasConcept C86803240 @default.
• W2014059083 hasConceptScore W2014059083C105795698 @default.
• W2014059083 hasConceptScore W2014059083C11413529 @default.
• W2014059083 hasConceptScore W2014059083C12426560 @default.
• W2014059083 hasConceptScore W2014059083C139945424 @default.
• W2014059083 hasConceptScore W2014059083C164126121 @default.
• W2014059083 hasConceptScore W2014059083C164923092 @default.
• W2014059083 hasConceptScore W2014059083C169903167 @default.
• W2014059083 hasConceptScore W2014059083C177264268 @default.
• W2014059083 hasConceptScore W2014059083C185592680 @default.
• W2014059083 hasConceptScore W2014059083C186060115 @default.
• W2014059083 hasConceptScore W2014059083C199360897 @default.
• W2014059083 hasConceptScore W2014059083C2524010 @default.
• W2014059083 hasConceptScore W2014059083C33923547 @default.
• W2014059083 hasConceptScore W2014059083C41008148 @default.
• W2014059083 hasConceptScore W2014059083C71240020 @default.
• W2014059083 hasConceptScore W2014059083C86803240 @default.

• next